3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine

C12H19N3O — CID 104533904

IUPAC3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine
SMILESCNc1cncc(NCCC2CCCO2)c1
InChIInChI=1S/C12H19N3O/c1-13-10-7-11(9-14-8-10)15-5-4-12-3-2-6-16-12/h7-9,12-13,15H,2-6H2,1H3
InChIKeyYEAKJPUTUBILDG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.10
Rot. Bonds5

About 3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine

3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine (PubChem CID 104533904) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine
PubChem CID104533904
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine
SMILESCNc1cncc(NCCC2CCCO2)c1
InChIInChI=1S/C12H19N3O/c1-13-10-7-11(9-14-8-10)15-5-4-12-3-2-6-16-12/h7-9,12-13,15H,2-6H2,1H3
InChIKeyYEAKJPUTUBILDG-UHFFFAOYSA-N
XLogP2.10
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine
CID 104532738
1-methyl-N-[2-(oxolan-2-yl)ethyl]pyrazol-4-amine
CID 79770820
5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine
CID 104533314
5-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 63208180
3-bromo-5-methyl-N-[2-(oxolan-2-yl)ethyl]aniline
CID 102975836
4-fluoro-3-methyl-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181207
3,4,5-trimethoxy-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65163543
N-[2-(oxolan-2-yl)ethyl]-4-propan-2-ylaniline
CID 63182100
3-iodo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65163284
2-methyl-4-[2-(oxolan-2-yl)ethylamino]benzonitrile
CID 81273129
3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 78925566
2-amino-N-methyl-4-[2-(oxolan-2-yl)ethylamino]benzenesulfonamide
CID 80646014

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine?
The IUPAC name of 3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine (CID 104533904) is 3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine.
What is the SMILES notation for 3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine?
The canonical SMILES for 3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine is CNc1cncc(NCCC2CCCO2)c1.
What is the InChIKey of 3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine?
The InChIKey is YEAKJPUTUBILDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-13-10-7-11(9-14-8-10)15-5-4-12-3-2-6-16-12/h7-9,12-13,15H,2-6H2,1H3.
What are the key properties of 3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine?
3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine has a molecular weight of 221.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine is sourced from PubChem (CID 104533904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).